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visualize by clusters

Open bernstei opened this issue 4 months ago • 7 comments

Is there any way to select more than one atom at a time? I'd like to figure out what's in common to the atoms in a particular cluster that I see, and I hoped chemiscope would facilitate that, but other than showing one atom at a time, I don't see any way to map back from the visualized clustering in the PCA (which I'm using a my axes) to the atomic structures.

bernstei avatar Oct 08 '24 12:10 bernstei